tert-butyl N-(2-chloro-3-iodopyridin-4-yl)carbamate

tert-butyl N-(2-chloro-3-iodopyridin-4-yl)carbamate

CAS: 234108-74-8

Formula: C10H12ClIN2O2

SMILES: CC(C)(C)OC(=O)NC1=CC=NC(Cl)=C1I

IUPAC: tert-butyl N-(2-chloro-3-iodopyridin-4-yl)carbamate

InChI: InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-6-4-5-13-8(11)7(6)12/h4-5H,1-3H3,(H,13,14,15)

Composition: C (33.87%), H (3.41%), Cl (10.00%), I (35.79%), N (7.90%), O (9.02%)

Molar Mass: 354.57

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.9632
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KTCWXIDJSFQZCV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.42
Topological Polar Surface Area	51.22
Polarizability	27.85
Ring Count	1
Rotatable Bond Count	3

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